In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 32 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.93 | 11.13 | -25.97 | 1 | 6 | 0 | 78 | 484.883 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.12 | 8.88 | -52.46 | 0 | 6 | -1 | 84 | 483.875 | 9 | ↓ |